###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52162
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '13C 15N'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52162 1
2 '3D HNCA' . . . 52162 1
3 '3D HNCO' . . . 52162 1
4 '3D HN(CA)CO' . . . 52162 1
5 '3D HN(CA)CB' . . . 52162 1
6 (HBHA)CBCA(CO)NNH . . . 52162 1
7 HBHA(CBCACO)NNH . . . 52162 1
8 HHN . . . 52162 1
9 CCCTOCSY(CO)NNH . . . 52162 1
10 HCCTOCSY(CO)NNH . . . 52162 1
11 '3D 15N-separated NOESY' . . . 52162 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 52162 1
3 $software_3 . . 52162 1
4 $software_4 . . 52162 1
5 $software_5 . . 52162 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 SER C C 13 174.251 0.0 . . . . . . . 46 SER C . 52162 1
2 . 1 . 1 3 3 SER CA C 13 58.8 0.01 . . . . . . . 46 SER CA . 52162 1
3 . 1 . 1 3 3 SER CB C 13 63.745 0.0 . . . . . . . 46 SER CB . 52162 1
4 . 1 . 1 4 4 THR H H 1 8.239 0.0 . . . . . . . 47 THR H . 52162 1
5 . 1 . 1 4 4 THR C C 13 176.659 0.0 . . . . . . . 47 THR C . 52162 1
6 . 1 . 1 4 4 THR CA C 13 60.306 0.02 . . . . . . . 47 THR CA . 52162 1
7 . 1 . 1 4 4 THR CB C 13 68.66 0.02 . . . . . . . 47 THR CB . 52162 1
8 . 1 . 1 4 4 THR N N 15 109.837 0.0 . . . . . . . 47 THR N . 52162 1
9 . 1 . 1 5 5 ILE H H 1 7.798 0.0 . . . . . . . 48 ILE H . 52162 1
10 . 1 . 1 5 5 ILE C C 13 176.678 0.0 . . . . . . . 48 ILE C . 52162 1
11 . 1 . 1 5 5 ILE CA C 13 65.9 0.02 . . . . . . . 48 ILE CA . 52162 1
12 . 1 . 1 5 5 ILE CB C 13 39.374 0.06 . . . . . . . 48 ILE CB . 52162 1
13 . 1 . 1 5 5 ILE N N 15 121.643 0.0 . . . . . . . 48 ILE N . 52162 1
14 . 1 . 1 6 6 PHE H H 1 8.398 0.0 . . . . . . . 49 PHE H . 52162 1
15 . 1 . 1 6 6 PHE C C 13 174.024 0.01 . . . . . . . 49 PHE C . 52162 1
16 . 1 . 1 6 6 PHE CA C 13 57.576 0.01 . . . . . . . 49 PHE CA . 52162 1
17 . 1 . 1 6 6 PHE CB C 13 38.298 0.02 . . . . . . . 49 PHE CB . 52162 1
18 . 1 . 1 6 6 PHE N N 15 111.972 0.0 . . . . . . . 49 PHE N . 52162 1
19 . 1 . 1 7 7 SER H H 1 7.393 0.0 . . . . . . . 50 SER H . 52162 1
20 . 1 . 1 7 7 SER C C 13 176.848 0.0 . . . . . . . 50 SER C . 52162 1
21 . 1 . 1 7 7 SER CA C 13 60.76 0.04 . . . . . . . 50 SER CA . 52162 1
22 . 1 . 1 7 7 SER CB C 13 63.126 0.01 . . . . . . . 50 SER CB . 52162 1
23 . 1 . 1 7 7 SER N N 15 114.04 0.0 . . . . . . . 50 SER N . 52162 1
24 . 1 . 1 8 8 GLY H H 1 8.903 0.0 . . . . . . . 51 GLY H . 52162 1
25 . 1 . 1 8 8 GLY C C 13 174.226 0.0 . . . . . . . 51 GLY C . 52162 1
26 . 1 . 1 8 8 GLY CA C 13 45.743 0.03 . . . . . . . 51 GLY CA . 52162 1
27 . 1 . 1 8 8 GLY N N 15 115.709 0.0 . . . . . . . 51 GLY N . 52162 1
28 . 1 . 1 9 9 VAL H H 1 8.537 0.0 . . . . . . . 52 VAL H . 52162 1
29 . 1 . 1 9 9 VAL C C 13 174.724 0.0 . . . . . . . 52 VAL C . 52162 1
30 . 1 . 1 9 9 VAL CA C 13 62.349 0.02 . . . . . . . 52 VAL CA . 52162 1
31 . 1 . 1 9 9 VAL CB C 13 32.892 0.02 . . . . . . . 52 VAL CB . 52162 1
32 . 1 . 1 9 9 VAL N N 15 123.944 0.0 . . . . . . . 52 VAL N . 52162 1
33 . 1 . 1 10 10 ALA H H 1 9.818 0.0 . . . . . . . 53 ALA H . 52162 1
34 . 1 . 1 10 10 ALA C C 13 176.406 0.01 . . . . . . . 53 ALA C . 52162 1
35 . 1 . 1 10 10 ALA CA C 13 50.299 0.0 . . . . . . . 53 ALA CA . 52162 1
36 . 1 . 1 10 10 ALA CB C 13 21.267 0.02 . . . . . . . 53 ALA CB . 52162 1
37 . 1 . 1 10 10 ALA N N 15 133.96 0.0 . . . . . . . 53 ALA N . 52162 1
38 . 1 . 1 11 11 ILE H H 1 7.733 0.0 . . . . . . . 54 ILE H . 52162 1
39 . 1 . 1 11 11 ILE C C 13 173.452 0.0 . . . . . . . 54 ILE C . 52162 1
40 . 1 . 1 11 11 ILE CA C 13 59.519 0.02 . . . . . . . 54 ILE CA . 52162 1
41 . 1 . 1 11 11 ILE CB C 13 41.174 0.01 . . . . . . . 54 ILE CB . 52162 1
42 . 1 . 1 11 11 ILE N N 15 113.623 0.0 . . . . . . . 54 ILE N . 52162 1
43 . 1 . 1 12 12 TYR H H 1 7.826 0.0 . . . . . . . 55 TYR H . 52162 1
44 . 1 . 1 12 12 TYR C C 13 173.275 0.01 . . . . . . . 55 TYR C . 52162 1
45 . 1 . 1 12 12 TYR CA C 13 56.422 0.0 . . . . . . . 55 TYR CA . 52162 1
46 . 1 . 1 12 12 TYR CB C 13 44.403 0.01 . . . . . . . 55 TYR CB . 52162 1
47 . 1 . 1 12 12 TYR N N 15 120.895 0.0 . . . . . . . 55 TYR N . 52162 1
48 . 1 . 1 13 13 VAL H H 1 8.277 0.0 . . . . . . . 56 VAL H . 52162 1
49 . 1 . 1 13 13 VAL C C 13 173.495 0.0 . . . . . . . 56 VAL C . 52162 1
50 . 1 . 1 13 13 VAL CA C 13 61.145 0.01 . . . . . . . 56 VAL CA . 52162 1
51 . 1 . 1 13 13 VAL CB C 13 32.375 0.0 . . . . . . . 56 VAL CB . 52162 1
52 . 1 . 1 13 13 VAL N N 15 128.936 0.0 . . . . . . . 56 VAL N . 52162 1
53 . 1 . 1 14 14 ASN H H 1 8.651 0.0 . . . . . . . 57 ASN H . 52162 1
54 . 1 . 1 14 14 ASN C C 13 174.132 0.01 . . . . . . . 57 ASN C . 52162 1
55 . 1 . 1 14 14 ASN CA C 13 52.153 0.02 . . . . . . . 57 ASN CA . 52162 1
56 . 1 . 1 14 14 ASN CB C 13 42.245 0.01 . . . . . . . 57 ASN CB . 52162 1
57 . 1 . 1 14 14 ASN N N 15 125.643 0.0 . . . . . . . 57 ASN N . 52162 1
58 . 1 . 1 15 15 GLY H H 1 8.418 0.0 . . . . . . . 58 GLY H . 52162 1
59 . 1 . 1 15 15 GLY C C 13 172.887 0.0 . . . . . . . 58 GLY C . 52162 1
60 . 1 . 1 15 15 GLY CA C 13 44.908 0.02 . . . . . . . 58 GLY CA . 52162 1
61 . 1 . 1 15 15 GLY N N 15 112.589 0.0 . . . . . . . 58 GLY N . 52162 1
62 . 1 . 1 16 16 TYR H H 1 8.515 0.0 . . . . . . . 59 TYR H . 52162 1
63 . 1 . 1 16 16 TYR C C 13 176.231 0.01 . . . . . . . 59 TYR C . 52162 1
64 . 1 . 1 16 16 TYR CA C 13 59.488 0.01 . . . . . . . 59 TYR CA . 52162 1
65 . 1 . 1 16 16 TYR CB C 13 38.598 0.02 . . . . . . . 59 TYR CB . 52162 1
66 . 1 . 1 16 16 TYR N N 15 120.743 0.0 . . . . . . . 59 TYR N . 52162 1
67 . 1 . 1 17 17 THR H H 1 7.128 0.0 . . . . . . . 60 THR H . 52162 1
68 . 1 . 1 17 17 THR C C 13 171.1 0.0 . . . . . . . 60 THR C . 52162 1
69 . 1 . 1 17 17 THR CA C 13 60.522 0.01 . . . . . . . 60 THR CA . 52162 1
70 . 1 . 1 17 17 THR CB C 13 73.429 0.03 . . . . . . . 60 THR CB . 52162 1
71 . 1 . 1 17 17 THR N N 15 118.314 0.0 . . . . . . . 60 THR N . 52162 1
72 . 1 . 1 18 18 ASP H H 1 7.414 0.0 . . . . . . . 61 ASP H . 52162 1
73 . 1 . 1 18 18 ASP CA C 13 51.367 0.0 . . . . . . . 61 ASP CA . 52162 1
74 . 1 . 1 18 18 ASP CB C 13 43.43 0.0 . . . . . . . 61 ASP CB . 52162 1
75 . 1 . 1 18 18 ASP N N 15 119.433 0.0 . . . . . . . 61 ASP N . 52162 1
76 . 1 . 1 19 19 PRO C C 13 175.2 0.0 . . . . . . . 62 PRO C . 52162 1
77 . 1 . 1 19 19 PRO CA C 13 62.767 0.03 . . . . . . . 62 PRO CA . 52162 1
78 . 1 . 1 19 19 PRO CB C 13 34.416 0.01 . . . . . . . 62 PRO CB . 52162 1
79 . 1 . 1 20 20 SER H H 1 8.597 0.0 . . . . . . . 63 SER H . 52162 1
80 . 1 . 1 20 20 SER C C 13 173.987 0.0 . . . . . . . 63 SER C . 52162 1
81 . 1 . 1 20 20 SER CA C 13 57.935 0.02 . . . . . . . 63 SER CA . 52162 1
82 . 1 . 1 20 20 SER CB C 13 65.537 0.01 . . . . . . . 63 SER CB . 52162 1
83 . 1 . 1 20 20 SER N N 15 116.629 0.0 . . . . . . . 63 SER N . 52162 1
84 . 1 . 1 21 21 ALA H H 1 8.389 0.0 . . . . . . . 64 ALA H . 52162 1
85 . 1 . 1 21 21 ALA C C 13 178.522 0.01 . . . . . . . 64 ALA C . 52162 1
86 . 1 . 1 21 21 ALA CA C 13 56.73 0.02 . . . . . . . 64 ALA CA . 52162 1
87 . 1 . 1 21 21 ALA CB C 13 17.662 0.01 . . . . . . . 64 ALA CB . 52162 1
88 . 1 . 1 21 21 ALA N N 15 123.288 0.0 . . . . . . . 64 ALA N . 52162 1
89 . 1 . 1 22 22 GLU H H 1 8.162 0.0 . . . . . . . 65 GLU H . 52162 1
90 . 1 . 1 22 22 GLU C C 13 179.226 0.0 . . . . . . . 65 GLU C . 52162 1
91 . 1 . 1 22 22 GLU CA C 13 59.048 0.05 . . . . . . . 65 GLU CA . 52162 1
92 . 1 . 1 22 22 GLU CB C 13 29.318 0.02 . . . . . . . 65 GLU CB . 52162 1
93 . 1 . 1 22 22 GLU N N 15 114.814 0.0 . . . . . . . 65 GLU N . 52162 1
94 . 1 . 1 23 23 GLU H H 1 7.523 0.0 . . . . . . . 66 GLU H . 52162 1
95 . 1 . 1 23 23 GLU C C 13 179.495 0.0 . . . . . . . 66 GLU C . 52162 1
96 . 1 . 1 23 23 GLU CA C 13 59.015 0.02 . . . . . . . 66 GLU CA . 52162 1
97 . 1 . 1 23 23 GLU CB C 13 29.421 0.03 . . . . . . . 66 GLU CB . 52162 1
98 . 1 . 1 23 23 GLU N N 15 120.634 0.0 . . . . . . . 66 GLU N . 52162 1
99 . 1 . 1 24 24 LEU H H 1 8.732 0.0 . . . . . . . 67 LEU H . 52162 1
100 . 1 . 1 24 24 LEU C C 13 178.58 0.0 . . . . . . . 67 LEU C . 52162 1
101 . 1 . 1 24 24 LEU CA C 13 58.188 0.02 . . . . . . . 67 LEU CA . 52162 1
102 . 1 . 1 24 24 LEU CB C 13 41.265 0.01 . . . . . . . 67 LEU CB . 52162 1
103 . 1 . 1 24 24 LEU N N 15 119.956 0.0 . . . . . . . 67 LEU N . 52162 1
104 . 1 . 1 25 25 ARG H H 1 8.302 0.0 . . . . . . . 68 ARG H . 52162 1
105 . 1 . 1 25 25 ARG C C 13 178.191 0.0 . . . . . . . 68 ARG C . 52162 1
106 . 1 . 1 25 25 ARG CA C 13 60.585 0.01 . . . . . . . 68 ARG CA . 52162 1
107 . 1 . 1 25 25 ARG CB C 13 28.964 0.02 . . . . . . . 68 ARG CB . 52162 1
108 . 1 . 1 25 25 ARG N N 15 120.606 0.0 . . . . . . . 68 ARG N . 52162 1
109 . 1 . 1 26 26 LYS H H 1 7.194 0.0 . . . . . . . 69 LYS H . 52162 1
110 . 1 . 1 26 26 LYS C C 13 179.276 0.0 . . . . . . . 69 LYS C . 52162 1
111 . 1 . 1 26 26 LYS CA C 13 59.812 0.01 . . . . . . . 69 LYS CA . 52162 1
112 . 1 . 1 26 26 LYS CB C 13 32.127 0.04 . . . . . . . 69 LYS CB . 52162 1
113 . 1 . 1 26 26 LYS N N 15 118.809 0.0 . . . . . . . 69 LYS N . 52162 1
114 . 1 . 1 27 27 LEU H H 1 8.11 0.0 . . . . . . . 70 LEU H . 52162 1
115 . 1 . 1 27 27 LEU C C 13 179.474 0.0 . . . . . . . 70 LEU C . 52162 1
116 . 1 . 1 27 27 LEU CA C 13 58.045 0.0 . . . . . . . 70 LEU CA . 52162 1
117 . 1 . 1 27 27 LEU CB C 13 41.274 0.01 . . . . . . . 70 LEU CB . 52162 1
118 . 1 . 1 27 27 LEU N N 15 118.13 0.0 . . . . . . . 70 LEU N . 52162 1
119 . 1 . 1 28 28 MET H H 1 8.302 0.0 . . . . . . . 71 MET H . 52162 1
120 . 1 . 1 28 28 MET C C 13 178.57 0.0 . . . . . . . 71 MET C . 52162 1
121 . 1 . 1 28 28 MET CA C 13 57.234 0.03 . . . . . . . 71 MET CA . 52162 1
122 . 1 . 1 28 28 MET CB C 13 32.995 0.0 . . . . . . . 71 MET CB . 52162 1
123 . 1 . 1 28 28 MET N N 15 116.779 0.0 . . . . . . . 71 MET N . 52162 1
124 . 1 . 1 29 29 MET H H 1 7.692 0.0 . . . . . . . 72 MET H . 52162 1
125 . 1 . 1 29 29 MET C C 13 179.646 0.01 . . . . . . . 72 MET C . 52162 1
126 . 1 . 1 29 29 MET CA C 13 58.304 0.01 . . . . . . . 72 MET CA . 52162 1
127 . 1 . 1 29 29 MET CB C 13 32.689 0.03 . . . . . . . 72 MET CB . 52162 1
128 . 1 . 1 29 29 MET N N 15 116.62 0.0 . . . . . . . 72 MET N . 52162 1
129 . 1 . 1 30 30 LEU H H 1 7.848 0.0 . . . . . . . 73 LEU H . 52162 1
130 . 1 . 1 30 30 LEU C C 13 177.962 0.0 . . . . . . . 73 LEU C . 52162 1
131 . 1 . 1 30 30 LEU CA C 13 56.947 0.02 . . . . . . . 73 LEU CA . 52162 1
132 . 1 . 1 30 30 LEU CB C 13 43.746 0.01 . . . . . . . 73 LEU CB . 52162 1
133 . 1 . 1 30 30 LEU N N 15 119.616 0.0 . . . . . . . 73 LEU N . 52162 1
134 . 1 . 1 31 31 HIS H H 1 7.504 0.0 . . . . . . . 74 HIS H . 52162 1
135 . 1 . 1 31 31 HIS C C 13 175.381 0.01 . . . . . . . 74 HIS C . 52162 1
136 . 1 . 1 31 31 HIS CA C 13 56.429 0.01 . . . . . . . 74 HIS CA . 52162 1
137 . 1 . 1 31 31 HIS CB C 13 31.551 0.01 . . . . . . . 74 HIS CB . 52162 1
138 . 1 . 1 31 31 HIS N N 15 113.61 0.0 . . . . . . . 74 HIS N . 52162 1
139 . 1 . 1 32 32 GLY H H 1 7.431 0.0 . . . . . . . 75 GLY H . 52162 1
140 . 1 . 1 32 32 GLY C C 13 175.171 0.0 . . . . . . . 75 GLY C . 52162 1
141 . 1 . 1 32 32 GLY CA C 13 47.268 0.02 . . . . . . . 75 GLY CA . 52162 1
142 . 1 . 1 32 32 GLY N N 15 106.128 0.0 . . . . . . . 75 GLY N . 52162 1
143 . 1 . 1 33 33 GLY H H 1 8.757 0.0 . . . . . . . 76 GLY H . 52162 1
144 . 1 . 1 33 33 GLY C C 13 172.697 0.0 . . . . . . . 76 GLY C . 52162 1
145 . 1 . 1 33 33 GLY CA C 13 44.807 0.02 . . . . . . . 76 GLY CA . 52162 1
146 . 1 . 1 33 33 GLY N N 15 107.608 0.0 . . . . . . . 76 GLY N . 52162 1
147 . 1 . 1 34 34 GLN H H 1 8.297 0.0 . . . . . . . 77 GLN H . 52162 1
148 . 1 . 1 34 34 GLN C C 13 173.554 0.03 . . . . . . . 77 GLN C . 52162 1
149 . 1 . 1 34 34 GLN CA C 13 54.337 0.0 . . . . . . . 77 GLN CA . 52162 1
150 . 1 . 1 34 34 GLN CB C 13 33.044 0.02 . . . . . . . 77 GLN CB . 52162 1
151 . 1 . 1 34 34 GLN N N 15 115.753 0.0 . . . . . . . 77 GLN N . 52162 1
152 . 1 . 1 35 35 TYR H H 1 8.696 0.0 . . . . . . . 78 TYR H . 52162 1
153 . 1 . 1 35 35 TYR C C 13 173.485 0.0 . . . . . . . 78 TYR C . 52162 1
154 . 1 . 1 35 35 TYR CA C 13 57.309 0.01 . . . . . . . 78 TYR CA . 52162 1
155 . 1 . 1 35 35 TYR CB C 13 43.098 0.01 . . . . . . . 78 TYR CB . 52162 1
156 . 1 . 1 35 35 TYR N N 15 122.888 0.0 . . . . . . . 78 TYR N . 52162 1
157 . 1 . 1 36 36 HIS H H 1 9.004 0.0 . . . . . . . 79 HIS H . 52162 1
158 . 1 . 1 36 36 HIS C C 13 174.583 0.0 . . . . . . . 79 HIS C . 52162 1
159 . 1 . 1 36 36 HIS CA C 13 53.048 0.01 . . . . . . . 79 HIS CA . 52162 1
160 . 1 . 1 36 36 HIS CB C 13 32.445 0.0 . . . . . . . 79 HIS CB . 52162 1
161 . 1 . 1 36 36 HIS N N 15 129.415 0.0 . . . . . . . 79 HIS N . 52162 1
162 . 1 . 1 37 37 VAL H H 1 8.445 0.0 . . . . . . . 80 VAL H . 52162 1
163 . 1 . 1 37 37 VAL C C 13 175.207 0.0 . . . . . . . 80 VAL C . 52162 1
164 . 1 . 1 37 37 VAL CA C 13 64.363 0.03 . . . . . . . 80 VAL CA . 52162 1
165 . 1 . 1 37 37 VAL CB C 13 32.444 0.02 . . . . . . . 80 VAL CB . 52162 1
166 . 1 . 1 37 37 VAL N N 15 122.957 0.0 . . . . . . . 80 VAL N . 52162 1
167 . 1 . 1 38 38 TYR H H 1 7.453 0.0 . . . . . . . 81 TYR H . 52162 1
168 . 1 . 1 38 38 TYR C C 13 174.132 0.0 . . . . . . . 81 TYR C . 52162 1
169 . 1 . 1 38 38 TYR CA C 13 55.367 0.01 . . . . . . . 81 TYR CA . 52162 1
170 . 1 . 1 38 38 TYR CB C 13 40.286 0.01 . . . . . . . 81 TYR CB . 52162 1
171 . 1 . 1 38 38 TYR N N 15 115.796 0.0 . . . . . . . 81 TYR N . 52162 1
172 . 1 . 1 39 39 TYR H H 1 8.006 0.0 . . . . . . . 82 TYR H . 52162 1
173 . 1 . 1 39 39 TYR C C 13 175.065 0.0 . . . . . . . 82 TYR C . 52162 1
174 . 1 . 1 39 39 TYR CA C 13 58.949 0.0 . . . . . . . 82 TYR CA . 52162 1
175 . 1 . 1 39 39 TYR CB C 13 37.524 0.0 . . . . . . . 82 TYR CB . 52162 1
176 . 1 . 1 39 39 TYR N N 15 124.197 0.0 . . . . . . . 82 TYR N . 52162 1
177 . 1 . 1 40 40 SER H H 1 8.006 0.0 . . . . . . . 83 SER H . 52162 1
178 . 1 . 1 40 40 SER CA C 13 55.273 0.0 . . . . . . . 83 SER CA . 52162 1
179 . 1 . 1 40 40 SER CB C 13 63.589 0.0 . . . . . . . 83 SER CB . 52162 1
180 . 1 . 1 40 40 SER N N 15 124.202 0.0 . . . . . . . 83 SER N . 52162 1
181 . 1 . 1 42 42 SER C C 13 174.734 0.0 . . . . . . . 85 SER C . 52162 1
182 . 1 . 1 42 42 SER CA C 13 60.32 0.0 . . . . . . . 85 SER CA . 52162 1
183 . 1 . 1 42 42 SER CB C 13 63.419 0.0 . . . . . . . 85 SER CB . 52162 1
184 . 1 . 1 43 43 LYS H H 1 7.721 0.0 . . . . . . . 86 LYS H . 52162 1
185 . 1 . 1 43 43 LYS C C 13 176.88 0.01 . . . . . . . 86 LYS C . 52162 1
186 . 1 . 1 43 43 LYS CA C 13 56.82 0.01 . . . . . . . 86 LYS CA . 52162 1
187 . 1 . 1 43 43 LYS CB C 13 34.817 0.01 . . . . . . . 86 LYS CB . 52162 1
188 . 1 . 1 43 43 LYS N N 15 119.199 0.0 . . . . . . . 86 LYS N . 52162 1
189 . 1 . 1 44 44 THR H H 1 8.896 0.0 . . . . . . . 87 THR H . 52162 1
190 . 1 . 1 44 44 THR C C 13 175.555 0.0 . . . . . . . 87 THR C . 52162 1
191 . 1 . 1 44 44 THR CA C 13 64.666 0.01 . . . . . . . 87 THR CA . 52162 1
192 . 1 . 1 44 44 THR CB C 13 68.707 0.02 . . . . . . . 87 THR CB . 52162 1
193 . 1 . 1 44 44 THR N N 15 120.048 0.0 . . . . . . . 87 THR N . 52162 1
194 . 1 . 1 45 45 THR H H 1 9.558 0.0 . . . . . . . 88 THR H . 52162 1
195 . 1 . 1 45 45 THR C C 13 175.808 0.0 . . . . . . . 88 THR C . 52162 1
196 . 1 . 1 45 45 THR CA C 13 63.882 0.01 . . . . . . . 88 THR CA . 52162 1
197 . 1 . 1 45 45 THR CB C 13 69.025 0.04 . . . . . . . 88 THR CB . 52162 1
198 . 1 . 1 45 45 THR N N 15 121.131 0.0 . . . . . . . 88 THR N . 52162 1
199 . 1 . 1 46 46 HIS H H 1 7.801 0.0 . . . . . . . 89 HIS H . 52162 1
200 . 1 . 1 46 46 HIS C C 13 172.879 0.0 . . . . . . . 89 HIS C . 52162 1
201 . 1 . 1 46 46 HIS CA C 13 57.435 0.02 . . . . . . . 89 HIS CA . 52162 1
202 . 1 . 1 46 46 HIS CB C 13 34.868 0.01 . . . . . . . 89 HIS CB . 52162 1
203 . 1 . 1 46 46 HIS N N 15 121.257 0.0 . . . . . . . 89 HIS N . 52162 1
204 . 1 . 1 47 47 ILE H H 1 8.912 0.0 . . . . . . . 90 ILE H . 52162 1
205 . 1 . 1 47 47 ILE C C 13 174.204 0.01 . . . . . . . 90 ILE C . 52162 1
206 . 1 . 1 47 47 ILE CA C 13 60.212 0.04 . . . . . . . 90 ILE CA . 52162 1
207 . 1 . 1 47 47 ILE CB C 13 39.301 0.0 . . . . . . . 90 ILE CB . 52162 1
208 . 1 . 1 47 47 ILE N N 15 123.585 0.0 . . . . . . . 90 ILE N . 52162 1
209 . 1 . 1 48 48 ILE H H 1 9.316 0.0 . . . . . . . 91 ILE H . 52162 1
210 . 1 . 1 48 48 ILE C C 13 174.618 0.0 . . . . . . . 91 ILE C . 52162 1
211 . 1 . 1 48 48 ILE CA C 13 55.929 0.0 . . . . . . . 91 ILE CA . 52162 1
212 . 1 . 1 48 48 ILE CB C 13 36.404 0.0 . . . . . . . 91 ILE CB . 52162 1
213 . 1 . 1 48 48 ILE N N 15 128.226 0.0 . . . . . . . 91 ILE N . 52162 1
214 . 1 . 1 49 49 ALA H H 1 8.506 0.0 . . . . . . . 92 ALA H . 52162 1
215 . 1 . 1 49 49 ALA C C 13 174.542 0.01 . . . . . . . 92 ALA C . 52162 1
216 . 1 . 1 49 49 ALA CA C 13 51.368 0.01 . . . . . . . 92 ALA CA . 52162 1
217 . 1 . 1 49 49 ALA CB C 13 23.212 0.03 . . . . . . . 92 ALA CB . 52162 1
218 . 1 . 1 49 49 ALA N N 15 126.499 0.0 . . . . . . . 92 ALA N . 52162 1
219 . 1 . 1 50 50 THR H H 1 9.171 0.0 . . . . . . . 93 THR H . 52162 1
220 . 1 . 1 50 50 THR C C 13 174.577 0.01 . . . . . . . 93 THR C . 52162 1
221 . 1 . 1 50 50 THR CA C 13 63.384 0.0 . . . . . . . 93 THR CA . 52162 1
222 . 1 . 1 50 50 THR CB C 13 70.367 0.02 . . . . . . . 93 THR CB . 52162 1
223 . 1 . 1 50 50 THR N N 15 109.598 0.0 . . . . . . . 93 THR N . 52162 1
224 . 1 . 1 51 51 ASN H H 1 7.831 0.0 . . . . . . . 94 ASN H . 52162 1
225 . 1 . 1 51 51 ASN C C 13 173.223 0.0 . . . . . . . 94 ASN C . 52162 1
226 . 1 . 1 51 51 ASN CA C 13 53.095 0.01 . . . . . . . 94 ASN CA . 52162 1
227 . 1 . 1 51 51 ASN CB C 13 41.374 0.01 . . . . . . . 94 ASN CB . 52162 1
228 . 1 . 1 51 51 ASN N N 15 117.284 0.0 . . . . . . . 94 ASN N . 52162 1
229 . 1 . 1 52 52 LEU H H 1 8.307 0.0 . . . . . . . 95 LEU H . 52162 1
230 . 1 . 1 52 52 LEU CA C 13 52.458 0.0 . . . . . . . 95 LEU CA . 52162 1
231 . 1 . 1 52 52 LEU CB C 13 44.178 0.0 . . . . . . . 95 LEU CB . 52162 1
232 . 1 . 1 52 52 LEU N N 15 121.658 0.0 . . . . . . . 95 LEU N . 52162 1
233 . 1 . 1 55 55 ALA C C 13 179.456 0.0 . . . . . . . 98 ALA C . 52162 1
234 . 1 . 1 55 55 ALA CA C 13 54.694 0.0 . . . . . . . 98 ALA CA . 52162 1
235 . 1 . 1 55 55 ALA CB C 13 18.834 0.0 . . . . . . . 98 ALA CB . 52162 1
236 . 1 . 1 56 56 LYS H H 1 7.506 0.0 . . . . . . . 99 LYS H . 52162 1
237 . 1 . 1 56 56 LYS C C 13 177.692 0.0 . . . . . . . 99 LYS C . 52162 1
238 . 1 . 1 56 56 LYS CA C 13 56.575 0.0 . . . . . . . 99 LYS CA . 52162 1
239 . 1 . 1 56 56 LYS CB C 13 32.498 0.01 . . . . . . . 99 LYS CB . 52162 1
240 . 1 . 1 56 56 LYS N N 15 115.701 0.0 . . . . . . . 99 LYS N . 52162 1
241 . 1 . 1 57 57 ILE H H 1 7.61 0.0 . . . . . . . 100 ILE H . 52162 1
242 . 1 . 1 57 57 ILE C C 13 178.171 0.0 . . . . . . . 100 ILE C . 52162 1
243 . 1 . 1 57 57 ILE CA C 13 64.285 0.01 . . . . . . . 100 ILE CA . 52162 1
244 . 1 . 1 57 57 ILE CB C 13 37.871 0.01 . . . . . . . 100 ILE CB . 52162 1
245 . 1 . 1 57 57 ILE N N 15 120.379 0.0 . . . . . . . 100 ILE N . 52162 1
246 . 1 . 1 58 58 LYS H H 1 7.619 0.0 . . . . . . . 101 LYS H . 52162 1
247 . 1 . 1 58 58 LYS C C 13 178.399 0.01 . . . . . . . 101 LYS C . 52162 1
248 . 1 . 1 58 58 LYS CA C 13 58.819 0.03 . . . . . . . 101 LYS CA . 52162 1
249 . 1 . 1 58 58 LYS CB C 13 32.418 0.03 . . . . . . . 101 LYS CB . 52162 1
250 . 1 . 1 58 58 LYS N N 15 118.628 0.0 . . . . . . . 101 LYS N . 52162 1
251 . 1 . 1 59 59 GLU H H 1 7.709 0.0 . . . . . . . 102 GLU H . 52162 1
252 . 1 . 1 59 59 GLU C C 13 177.238 0.01 . . . . . . . 102 GLU C . 52162 1
253 . 1 . 1 59 59 GLU CA C 13 57.984 0.02 . . . . . . . 102 GLU CA . 52162 1
254 . 1 . 1 59 59 GLU CB C 13 30.374 0.0 . . . . . . . 102 GLU CB . 52162 1
255 . 1 . 1 59 59 GLU N N 15 118.066 0.0 . . . . . . . 102 GLU N . 52162 1
256 . 1 . 1 60 60 LEU H H 1 7.516 0.0 . . . . . . . 103 LEU H . 52162 1
257 . 1 . 1 60 60 LEU C C 13 176.59 0.01 . . . . . . . 103 LEU C . 52162 1
258 . 1 . 1 60 60 LEU CA C 13 54.394 0.01 . . . . . . . 103 LEU CA . 52162 1
259 . 1 . 1 60 60 LEU CB C 13 41.496 0.04 . . . . . . . 103 LEU CB . 52162 1
260 . 1 . 1 60 60 LEU N N 15 117.855 0.0 . . . . . . . 103 LEU N . 52162 1
261 . 1 . 1 61 61 LYS H H 1 7.699 0.0 . . . . . . . 104 LYS H . 52162 1
262 . 1 . 1 61 61 LYS C C 13 177.401 0.0 . . . . . . . 104 LYS C . 52162 1
263 . 1 . 1 61 61 LYS CA C 13 57.803 0.02 . . . . . . . 104 LYS CA . 52162 1
264 . 1 . 1 61 61 LYS CB C 13 32.252 0.04 . . . . . . . 104 LYS CB . 52162 1
265 . 1 . 1 61 61 LYS N N 15 121.953 0.0 . . . . . . . 104 LYS N . 52162 1
266 . 1 . 1 62 62 GLY H H 1 8.691 0.0 . . . . . . . 105 GLY H . 52162 1
267 . 1 . 1 62 62 GLY C C 13 174.652 0.0 . . . . . . . 105 GLY C . 52162 1
268 . 1 . 1 62 62 GLY CA C 13 45.422 0.01 . . . . . . . 105 GLY CA . 52162 1
269 . 1 . 1 62 62 GLY N N 15 112.689 0.0 . . . . . . . 105 GLY N . 52162 1
270 . 1 . 1 63 63 GLU H H 1 8.202 0.0 . . . . . . . 106 GLU H . 52162 1
271 . 1 . 1 63 63 GLU C C 13 175.981 0.0 . . . . . . . 106 GLU C . 52162 1
272 . 1 . 1 63 63 GLU CA C 13 55.296 0.05 . . . . . . . 106 GLU CA . 52162 1
273 . 1 . 1 63 63 GLU CB C 13 30.088 0.0 . . . . . . . 106 GLU CB . 52162 1
274 . 1 . 1 63 63 GLU N N 15 119.883 0.0 . . . . . . . 106 GLU N . 52162 1
275 . 1 . 1 64 64 LYS H H 1 8.842 0.0 . . . . . . . 107 LYS H . 52162 1
276 . 1 . 1 64 64 LYS C C 13 173.822 0.0 . . . . . . . 107 LYS C . 52162 1
277 . 1 . 1 64 64 LYS CA C 13 55.996 0.03 . . . . . . . 107 LYS CA . 52162 1
278 . 1 . 1 64 64 LYS CB C 13 32.664 0.03 . . . . . . . 107 LYS CB . 52162 1
279 . 1 . 1 64 64 LYS N N 15 121.918 0.0 . . . . . . . 107 LYS N . 52162 1
280 . 1 . 1 65 65 VAL H H 1 8.464 0.0 . . . . . . . 108 VAL H . 52162 1
281 . 1 . 1 65 65 VAL C C 13 174.746 0.0 . . . . . . . 108 VAL C . 52162 1
282 . 1 . 1 65 65 VAL CA C 13 61.521 0.04 . . . . . . . 108 VAL CA . 52162 1
283 . 1 . 1 65 65 VAL CB C 13 31.703 0.02 . . . . . . . 108 VAL CB . 52162 1
284 . 1 . 1 65 65 VAL N N 15 125.643 0.0 . . . . . . . 108 VAL N . 52162 1
285 . 1 . 1 66 66 ILE H H 1 9.727 0.0 . . . . . . . 109 ILE H . 52162 1
286 . 1 . 1 66 66 ILE C C 13 174.516 0.0 . . . . . . . 109 ILE C . 52162 1
287 . 1 . 1 66 66 ILE CA C 13 58.508 0.01 . . . . . . . 109 ILE CA . 52162 1
288 . 1 . 1 66 66 ILE CB C 13 40.148 0.02 . . . . . . . 109 ILE CB . 52162 1
289 . 1 . 1 66 66 ILE N N 15 129.025 0.0 . . . . . . . 109 ILE N . 52162 1
290 . 1 . 1 67 67 ARG H H 1 8.557 0.0 . . . . . . . 110 ARG H . 52162 1
291 . 1 . 1 67 67 ARG CA C 13 55.426 0.0 . . . . . . . 110 ARG CA . 52162 1
292 . 1 . 1 67 67 ARG CB C 13 30.43 0.0 . . . . . . . 110 ARG CB . 52162 1
293 . 1 . 1 67 67 ARG N N 15 123.486 0.0 . . . . . . . 110 ARG N . 52162 1
294 . 1 . 1 68 68 PRO C C 13 177.449 0.0 . . . . . . . 111 PRO C . 52162 1
295 . 1 . 1 68 68 PRO CA C 13 65.085 0.0 . . . . . . . 111 PRO CA . 52162 1
296 . 1 . 1 68 68 PRO CB C 13 31.895 0.0 . . . . . . . 111 PRO CB . 52162 1
297 . 1 . 1 69 69 GLU H H 1 9.461 0.0 . . . . . . . 112 GLU H . 52162 1
298 . 1 . 1 69 69 GLU C C 13 176.186 0.0 . . . . . . . 112 GLU C . 52162 1
299 . 1 . 1 69 69 GLU CA C 13 61.2 0.0 . . . . . . . 112 GLU CA . 52162 1
300 . 1 . 1 69 69 GLU CB C 13 29.215 0.05 . . . . . . . 112 GLU CB . 52162 1
301 . 1 . 1 69 69 GLU N N 15 119.013 0.0 . . . . . . . 112 GLU N . 52162 1
302 . 1 . 1 70 70 TRP H H 1 7.642 0.0 . . . . . . . 113 TRP H . 52162 1
303 . 1 . 1 70 70 TRP C C 13 178.377 0.0 . . . . . . . 113 TRP C . 52162 1
304 . 1 . 1 70 70 TRP CA C 13 60.088 0.01 . . . . . . . 113 TRP CA . 52162 1
305 . 1 . 1 70 70 TRP CB C 13 30.526 0.03 . . . . . . . 113 TRP CB . 52162 1
306 . 1 . 1 70 70 TRP N N 15 119.357 0.0 . . . . . . . 113 TRP N . 52162 1
307 . 1 . 1 71 71 ILE H H 1 7.21 0.0 . . . . . . . 114 ILE H . 52162 1
308 . 1 . 1 71 71 ILE C C 13 177.101 0.0 . . . . . . . 114 ILE C . 52162 1
309 . 1 . 1 71 71 ILE CA C 13 63.225 0.0 . . . . . . . 114 ILE CA . 52162 1
310 . 1 . 1 71 71 ILE CB C 13 37.776 0.01 . . . . . . . 114 ILE CB . 52162 1
311 . 1 . 1 71 71 ILE N N 15 117.58 0.0 . . . . . . . 114 ILE N . 52162 1
312 . 1 . 1 72 72 VAL H H 1 6.763 0.0 . . . . . . . 115 VAL H . 52162 1
313 . 1 . 1 72 72 VAL C C 13 179.089 0.0 . . . . . . . 115 VAL C . 52162 1
314 . 1 . 1 72 72 VAL CA C 13 66.574 0.01 . . . . . . . 115 VAL CA . 52162 1
315 . 1 . 1 72 72 VAL CB C 13 32.711 0.01 . . . . . . . 115 VAL CB . 52162 1
316 . 1 . 1 72 72 VAL N N 15 117.0 0.0 . . . . . . . 115 VAL N . 52162 1
317 . 1 . 1 73 73 GLU H H 1 9.046 0.0 . . . . . . . 116 GLU H . 52162 1
318 . 1 . 1 73 73 GLU C C 13 180.07 0.0 . . . . . . . 116 GLU C . 52162 1
319 . 1 . 1 73 73 GLU CA C 13 59.375 0.01 . . . . . . . 116 GLU CA . 52162 1
320 . 1 . 1 73 73 GLU CB C 13 28.177 0.01 . . . . . . . 116 GLU CB . 52162 1
321 . 1 . 1 73 73 GLU N N 15 117.42 0.0 . . . . . . . 116 GLU N . 52162 1
322 . 1 . 1 74 74 SER H H 1 7.452 0.0 . . . . . . . 117 SER H . 52162 1
323 . 1 . 1 74 74 SER C C 13 174.756 0.0 . . . . . . . 117 SER C . 52162 1
324 . 1 . 1 74 74 SER CA C 13 63.323 0.01 . . . . . . . 117 SER CA . 52162 1
325 . 1 . 1 74 74 SER N N 15 119.751 0.0 . . . . . . . 117 SER N . 52162 1
326 . 1 . 1 75 75 ILE H H 1 7.482 0.0 . . . . . . . 118 ILE H . 52162 1
327 . 1 . 1 75 75 ILE C C 13 179.225 0.0 . . . . . . . 118 ILE C . 52162 1
328 . 1 . 1 75 75 ILE CA C 13 65.724 0.01 . . . . . . . 118 ILE CA . 52162 1
329 . 1 . 1 75 75 ILE CB C 13 37.444 0.03 . . . . . . . 118 ILE CB . 52162 1
330 . 1 . 1 75 75 ILE N N 15 121.295 0.0 . . . . . . . 118 ILE N . 52162 1
331 . 1 . 1 76 76 LYS H H 1 7.641 0.0 . . . . . . . 119 LYS H . 52162 1
332 . 1 . 1 76 76 LYS C C 13 178.232 0.0 . . . . . . . 119 LYS C . 52162 1
333 . 1 . 1 76 76 LYS CA C 13 59.598 0.09 . . . . . . . 119 LYS CA . 52162 1
334 . 1 . 1 76 76 LYS CB C 13 32.671 0.0 . . . . . . . 119 LYS CB . 52162 1
335 . 1 . 1 76 76 LYS N N 15 119.356 0.0 . . . . . . . 119 LYS N . 52162 1
336 . 1 . 1 77 77 ALA H H 1 7.866 0.0 . . . . . . . 120 ALA H . 52162 1
337 . 1 . 1 77 77 ALA C C 13 178.284 0.0 . . . . . . . 120 ALA C . 52162 1
338 . 1 . 1 77 77 ALA CA C 13 53.039 0.01 . . . . . . . 120 ALA CA . 52162 1
339 . 1 . 1 77 77 ALA CB C 13 19.267 0.01 . . . . . . . 120 ALA CB . 52162 1
340 . 1 . 1 77 77 ALA N N 15 118.596 0.0 . . . . . . . 120 ALA N . 52162 1
341 . 1 . 1 78 78 GLY H H 1 7.951 0.0 . . . . . . . 121 GLY H . 52162 1
342 . 1 . 1 78 78 GLY C C 13 173.321 0.0 . . . . . . . 121 GLY C . 52162 1
343 . 1 . 1 78 78 GLY CA C 13 45.609 0.01 . . . . . . . 121 GLY CA . 52162 1
344 . 1 . 1 78 78 GLY N N 15 107.361 0.0 . . . . . . . 121 GLY N . 52162 1
345 . 1 . 1 79 79 ARG H H 1 7.963 0.0 . . . . . . . 122 ARG H . 52162 1
346 . 1 . 1 79 79 ARG C C 13 171.686 0.01 . . . . . . . 122 ARG C . 52162 1
347 . 1 . 1 79 79 ARG CA C 13 54.309 0.05 . . . . . . . 122 ARG CA . 52162 1
348 . 1 . 1 79 79 ARG CB C 13 31.779 0.01 . . . . . . . 122 ARG CB . 52162 1
349 . 1 . 1 79 79 ARG N N 15 116.108 0.0 . . . . . . . 122 ARG N . 52162 1
350 . 1 . 1 80 80 LEU H H 1 8.247 0.0 . . . . . . . 123 LEU H . 52162 1
351 . 1 . 1 80 80 LEU C C 13 176.903 0.01 . . . . . . . 123 LEU C . 52162 1
352 . 1 . 1 80 80 LEU CA C 13 55.306 0.03 . . . . . . . 123 LEU CA . 52162 1
353 . 1 . 1 80 80 LEU CB C 13 40.971 0.01 . . . . . . . 123 LEU CB . 52162 1
354 . 1 . 1 80 80 LEU N N 15 119.716 0.0 . . . . . . . 123 LEU N . 52162 1
355 . 1 . 1 81 81 LEU H H 1 7.785 0.0 . . . . . . . 124 LEU H . 52162 1
356 . 1 . 1 81 81 LEU CA C 13 54.037 0.0 . . . . . . . 124 LEU CA . 52162 1
357 . 1 . 1 81 81 LEU CB C 13 42.951 0.0 . . . . . . . 124 LEU CB . 52162 1
358 . 1 . 1 81 81 LEU N N 15 130.647 0.0 . . . . . . . 124 LEU N . 52162 1
359 . 1 . 1 82 82 SER C C 13 176.629 0.0 . . . . . . . 125 SER C . 52162 1
360 . 1 . 1 82 82 SER CA C 13 58.95 0.0 . . . . . . . 125 SER CA . 52162 1
361 . 1 . 1 82 82 SER CB C 13 63.367 0.0 . . . . . . . 125 SER CB . 52162 1
362 . 1 . 1 83 83 TYR H H 1 7.28 0.0 . . . . . . . 126 TYR H . 52162 1
363 . 1 . 1 83 83 TYR C C 13 176.612 0.01 . . . . . . . 126 TYR C . 52162 1
364 . 1 . 1 83 83 TYR CA C 13 58.26 0.02 . . . . . . . 126 TYR CA . 52162 1
365 . 1 . 1 83 83 TYR CB C 13 36.269 0.02 . . . . . . . 126 TYR CB . 52162 1
366 . 1 . 1 83 83 TYR N N 15 121.836 0.0 . . . . . . . 126 TYR N . 52162 1
367 . 1 . 1 84 84 ILE H H 1 7.122 0.0 . . . . . . . 127 ILE H . 52162 1
368 . 1 . 1 84 84 ILE CA C 13 65.863 0.0 . . . . . . . 127 ILE CA . 52162 1
369 . 1 . 1 84 84 ILE CB C 13 35.047 0.0 . . . . . . . 127 ILE CB . 52162 1
370 . 1 . 1 84 84 ILE N N 15 123.332 0.0 . . . . . . . 127 ILE N . 52162 1
371 . 1 . 1 85 85 PRO C C 13 176.062 0.01 . . . . . . . 128 PRO C . 52162 1
372 . 1 . 1 85 85 PRO CA C 13 64.776 0.0 . . . . . . . 128 PRO CA . 52162 1
373 . 1 . 1 85 85 PRO CB C 13 31.002 0.0 . . . . . . . 128 PRO CB . 52162 1
374 . 1 . 1 86 86 TYR H H 1 7.572 0.0 . . . . . . . 129 TYR H . 52162 1
375 . 1 . 1 86 86 TYR C C 13 174.46 0.0 . . . . . . . 129 TYR C . 52162 1
376 . 1 . 1 86 86 TYR CA C 13 56.837 0.01 . . . . . . . 129 TYR CA . 52162 1
377 . 1 . 1 86 86 TYR CB C 13 40.7 0.0 . . . . . . . 129 TYR CB . 52162 1
378 . 1 . 1 86 86 TYR N N 15 114.331 0.0 . . . . . . . 129 TYR N . 52162 1
379 . 1 . 1 87 87 GLN H H 1 7.482 0.0 . . . . . . . 130 GLN H . 52162 1
380 . 1 . 1 87 87 GLN C C 13 176.084 0.03 . . . . . . . 130 GLN C . 52162 1
381 . 1 . 1 87 87 GLN CA C 13 57.049 0.0 . . . . . . . 130 GLN CA . 52162 1
382 . 1 . 1 87 87 GLN CB C 13 30.234 0.01 . . . . . . . 130 GLN CB . 52162 1
383 . 1 . 1 87 87 GLN N N 15 121.296 0.0 . . . . . . . 130 GLN N . 52162 1
384 . 1 . 1 88 88 LEU H H 1 8.845 0.0 . . . . . . . 131 LEU H . 52162 1
385 . 1 . 1 88 88 LEU C C 13 176.147 0.01 . . . . . . . 131 LEU C . 52162 1
386 . 1 . 1 88 88 LEU CA C 13 55.463 0.01 . . . . . . . 131 LEU CA . 52162 1
387 . 1 . 1 88 88 LEU CB C 13 43.892 0.0 . . . . . . . 131 LEU CB . 52162 1
388 . 1 . 1 88 88 LEU N N 15 126.152 0.0 . . . . . . . 131 LEU N . 52162 1
389 . 1 . 1 89 89 TYR H H 1 8.098 0.0 . . . . . . . 132 TYR H . 52162 1
390 . 1 . 1 89 89 TYR C C 13 175.07 0.0 . . . . . . . 132 TYR C . 52162 1
391 . 1 . 1 89 89 TYR CA C 13 57.749 0.02 . . . . . . . 132 TYR CA . 52162 1
392 . 1 . 1 89 89 TYR CB C 13 38.286 0.01 . . . . . . . 132 TYR CB . 52162 1
393 . 1 . 1 89 89 TYR N N 15 116.962 0.0 . . . . . . . 132 TYR N . 52162 1
394 . 1 . 1 90 90 THR H H 1 7.695 0.0 . . . . . . . 133 THR H . 52162 1
395 . 1 . 1 90 90 THR CA C 13 62.822 0.0 . . . . . . . 133 THR CA . 52162 1
396 . 1 . 1 90 90 THR CB C 13 70.892 0.0 . . . . . . . 133 THR CB . 52162 1
397 . 1 . 1 90 90 THR N N 15 118.447 0.0 . . . . . . . 133 THR N . 52162 1
stop_
save_